3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol

C12H20N4OS — CID 54994539

IUPAC3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc2sccn2c1CN
InChIInChI=1S/C12H20N4OS/c1-9(2)15(4-3-6-17)11-10(8-13)16-5-7-18-12(16)14-11/h5,7,9,17H,3-4,6,8,13H2,1-2H3
InChIKeyNUUGSCMYGBKAAU-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.45
Rot. Bonds6

About 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol

3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 54994539) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
PubChem CID54994539
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc2sccn2c1CN
InChIInChI=1S/C12H20N4OS/c1-9(2)15(4-3-6-17)11-10(8-13)16-5-7-18-12(16)14-11/h5,7,9,17H,3-4,6,8,13H2,1-2H3
InChIKeyNUUGSCMYGBKAAU-UHFFFAOYSA-N
XLogP1.45
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol (CID 54994539) is 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1nc2sccn2c1CN.
What is the InChIKey of 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is NUUGSCMYGBKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(2)15(4-3-6-17)11-10(8-13)16-5-7-18-12(16)14-11/h5,7,9,17H,3-4,6,8,13H2,1-2H3.
What are the key properties of 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol?
3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 268.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 54994539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).